Formula |
C17H22N4O6S |
IUPAC Name |
ethyl 2-[3-[4-amino-5-[3-(cyclopropylsulfonylamino)prop-1-ynyl]-2-oxo-pyrimidin-1-yl]oxetan-3-yl]acetate |
Molecular Mass |
410.445 g·mol−1 |
Heat of Formation |
-598.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.93 ± 1.08 D |
Volume |
457.65 Å 3 |
Surface Area |
402.18 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-0.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MIAWQMZUJQYSPX-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
S
O
N
|
|
|